3,5,5-trimethyl-4-oxidanyl-4-(4-oxidanylbut-1-ynyl)cyclohex-2-en-1-one

Systemtic Name: 3,5,5-trimethyl-4-oxidanyl-4-(4-oxidanylbut-1-ynyl)cyclohex-2-en-1-one Openeye Name: 4-hydroxy-4-(4-hydroxybut-1-ynyl)-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 4-hydroxy-4-(4-hydroxybut-1-ynyl)-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 4-hydroxy-4-(4-hydroxybut-1-ynyl)-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 4-hydroxy-4-(4-hydroxybut-1-ynyl)-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C#CCCO)O)(C)C

Isomeric SMILES

CC1=CC(=O)CC(C1(C#CCCO)O)(C)C

InChI

InChI=1S/C13H18O3/c1-10-8-11(15)9-12(2,3)13(10,16)6-4-5-7-14/h8,14,16H,5,7,9H2,1-3H3